4-chlorohept-6-en-1-ol

C7H13ClO — CID 89276992

IUPAC4-chlorohept-6-en-1-ol
SMILESC=CCC(Cl)CCCO
InChIInChI=1S/C7H13ClO/c1-2-4-7(8)5-3-6-9/h2,7,9H,1,3-6H2
InChIKeyRKLCXCPQWZOLCM-UHFFFAOYSA-N
MW148.63 g/mol
LogP1.94
Rot. Bonds5

About 4-chlorohept-6-en-1-ol

4-chlorohept-6-en-1-ol (PubChem CID 89276992) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 4-chlorohept-6-en-1-ol.

Molecular Properties

Compound Name4-chlorohept-6-en-1-ol
PubChem CID89276992
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name4-chlorohept-6-en-1-ol
SMILESC=CCC(Cl)CCCO
InChIInChI=1S/C7H13ClO/c1-2-4-7(8)5-3-6-9/h2,7,9H,1,3-6H2
InChIKeyRKLCXCPQWZOLCM-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorohept-6-en-1-ol?
The IUPAC name of 4-chlorohept-6-en-1-ol (CID 89276992) is 4-chlorohept-6-en-1-ol.
What is the SMILES notation for 4-chlorohept-6-en-1-ol?
The canonical SMILES for 4-chlorohept-6-en-1-ol is C=CCC(Cl)CCCO.
What is the InChIKey of 4-chlorohept-6-en-1-ol?
The InChIKey is RKLCXCPQWZOLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-4-7(8)5-3-6-9/h2,7,9H,1,3-6H2.
What are the key properties of 4-chlorohept-6-en-1-ol?
4-chlorohept-6-en-1-ol has a molecular weight of 148.63 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorohept-6-en-1-ol is sourced from PubChem (CID 89276992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).